2-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid

C9H13N3O2S — CID 65267487

IUPAC2-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
SMILESCc1nsc(N2CCCC2(C)C(=O)O)n1
InChIInChI=1S/C9H13N3O2S/c1-6-10-8(15-11-6)12-5-3-4-9(12,2)7(13)14/h3-5H2,1-2H3,(H,13,14)
InChIKeyUNFORVAEPOEDBF-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.29
Rot. Bonds2

About 2-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid

2-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid (PubChem CID 65267487) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
PubChem CID65267487
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
SMILESCc1nsc(N2CCCC2(C)C(=O)O)n1
InChIInChI=1S/C9H13N3O2S/c1-6-10-8(15-11-6)12-5-3-4-9(12,2)7(13)14/h3-5H2,1-2H3,(H,13,14)
InChIKeyUNFORVAEPOEDBF-UHFFFAOYSA-N
XLogP1.29
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid (CID 65267487) is 2-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid is Cc1nsc(N2CCCC2(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is UNFORVAEPOEDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-10-8(15-11-6)12-5-3-4-9(12,2)7(13)14/h3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 227.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65267487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).